A Molecular design tool

Edit Package avogadro
http://avogadro.sourceforge.net/wiki/Main_Page

Avogadro is an advanced molecular editor designed
for cross-platform use in computational chemistry,
molecular modeling, bioinformatics, materials science,
and related areas. It offers flexible rendering and
a powerful plugin architecture.

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Source Files
Filename Size Changed
0004-don-t-use-signbit-on-non-float.patch 0000001267 1.24 KB
avogadro-1.1.0-avopkg-fix-echo.patch 0000001143 1.12 KB
avogadro-1.2.0.tar.gz 0016779635 16 MB
avogadro-boost.patch 0000002708 2.64 KB
avogadro-opanbabel.patch 0000000599 599 Bytes
avogadro-port-to-eigen3.patch 0000038243 37.3 KB
avogadro.changes 0000012225 11.9 KB
avogadro.png 0000049428 48.3 KB
avogadro.spec 0000006368 6.22 KB
baselibs.conf 0000000111 111 Bytes
Revision 17 (latest revision is 18)
Ludwig Nussel's avatar Ludwig Nussel (lnussel_factory) accepted request 691557 from Atri Bhattacharya's avatar Atri Bhattacharya (badshah400) (revision 17)
- Remove 0006-Fix-libmsym-libdir-for-64bit.patch and define
  INSTALL_LIB_DIR and INSTALL_CMAKE_DIR via cmdline instead
- Add avogadro-port-to-eigen3.patch: Pick commits from upstream
  to get avogadro building with eigen3; replace libeigen2-devel
  BuildRequires by eigen3-devel.
- Use cmake macros for build (%%cmake_build) and install
  (%%cmake_install).
- Use autosetup to setup source and apply patches in one go.
- Minor specfile cleanups:
  * Use %%license to package COPYING file.
  * Do away with defattrs for file lists.
- Correct buildrequires so xorg-x11-devel is no longer 
  used.
- Force python2 by passing -DPYTHON_EXECUTABLE=%{_bindir}/python2
  to cmake to fix build on Tumbleweed
- Update to 1.2.0
  * Support for the ORCA quantum chemistry package, thanks to
    Dagmar Lenk, including input generation and output parsing
  * Improved support for MO calculations, including orbitals with F,
    G, H, and I angular momentum, thanks to Dagmar Lenk
    and Albert DeFusco
  * Support for exporting VRML models of atoms, bonds, surfaces,
    and orbitals (e.g. for 3D printing), thanks to Ethan Pavolik
  * Support for perceiving molecular symmetry on Mac and Linux using
    the libmsym library1 (i.e., Properties -> Symmetry),
    thanks to Marcus Johansson
  * Updated links to the new Avogadro website3, manual4,
    and discussion forum
  * Fixed support for compiling with the Eigen3 library up to
    version 3.2.8
  * Improved support for space groups through spglib1
  * Updated translations1, now including over 25 languages in
    addition to English
  * Fixed a bug downloading from the Protein Data Bank
  * Fixed a bug fetching molecules from the network, including
    the "chemical by name"
  * Fixed a bug when naming molecules from the NIH chemical
    resolver website
- drop avogadro-cmake-3.2.patch, arm-qreal-vs-double.patch (upstream)
- add 0004-don-t-use-signbit-on-non-float.patch,
  0005-Link-with-libm.patch, 0006-Fix-libmsym-libdir-for-64bit.patch
- fix package group: Productivity/Scientific/Chemistry
- BuildRequire libboost_python-devel instead of boost-devel on
  Tumbleweed to fix build
- Fix buildfailure with openbabel (avogadro-opanbabel.patch) 
- Add avogadro-boost.patch to fix build failures with boost 1.60.0 
- add arm-qreal-vs-double.patch
- Added patch to fix building against cmake >= 3.2, libX11 is no
  longer magically implied. (sf#avogadro/bugs/746)
  + avogadro-cmake-3.2.patch
- fix using 'echo' command in avopkg script
- add patches:
  * avogadro-1.1.0-avopkg-fix-echo.patch
- Update to version 1.1.1
  * Rudimentary support for retinal display Macs
  * Support for manual adjustment of the view
  * DNA/RNA builder
  * Simple LAMMPS input generator for water
  * PSI4 input generator added
  * Fixed QTAIM to work on Windows
  * Updated gl2ps snapshot
- Remove fixed patches
  * avogadro-1.1.0-no-return-in-nonvoid-function.patch
  * MopacAuxReaderFix.patch
  * shlib-pic-flag.patch
- Use %cmake macro
- Update to version 1.1.1
  * Rudimentary support for retinal display Macs
  * Support for manual adjustment of the view
  * DNA/RNA builder
  * Simple LAMMPS input generator for water
  * PSI4 input generator added
  * Fixed QTAIM to work on Windows
  * Updated gl2ps snapshot
- Remove fixed patches
  * avogadro-1.1.0-no-return-in-nonvoid-function.patch
  * MopacAuxReaderFix.patch
  * shlib-pic-flag.patch
- Use %cmake macro
- Compile with %{optflags}
- Use RelWithDebInfo build type not to strip binaries
- shlib-pic-flag.patch: Always use PIC in shlib objects
- added MopacAuxReaderFix.patch to avoid crash when loading aux.
- fixed build on SLES
- split off python package
  (also use sitearch for arch-dependent files)
- added avogadro-1.1.0-no-return-in-nonvoid-function.patch
- update to 1.1.0:
  + Fix crash with dipole moment after optimization (PR#3521044)
  + Add test files for QTAIM analysis, including diborane(B2H6), 
    C4H4, and HCO2. These files will be used for a tutorial 
  + Fix residue and atom code assignment
  + be conservative about changing elements when copying atoms 
    for the same reason
- removed avogadro-boost148.patch and avogadro-nostrip.patch
- glew no longer requires glu, so buildrequire it explicitly
- Use %{optflags} and don't strip binaries
- Fix compile with boost 1.48 
- fix Copyright header in specfile and license (spdx format)
- use _lib macro to determine lib suffix
- Remove redundant tags/sections from specfile
- Implement baselibs for package
  
- Added check for duplicate files (fix for RPMLINT warning)
- Removed name from summary (fix for RPMLINT warning)
- Cleaned up spec file formatting
 
- Spec file clean up 
- removed the obsolete patches due to the new upstream version.
- no more crash on openSUSE 11.4 when starting.
- new upstream version (bugfix release)
  * Fixed building of translations on Linux and Mac OS X. 
  * Fixed issues with newer versions of SIP
  * Import Avogadro automatically in the Python terminal
  * Some fixes/adjustments for newer versions of Open Babel
  * Fixed a bug in the bounds for cubes, now isosurfaces align to molecules in all cases
  * Added picking support in wireframe - enables editing of atoms in this mode
  * Fixed some crashes when drawing with adjust hydrogens on
  * Ensure the GAMESS input generator updates when atoms are added, removed or updated
  * Added some missing entries in the GAMESS input dialog
  * Fixes to the NWChem input generator
  * Add LARGE keyword to MOPAC input files to give full output of MOs
  * Fixed autobonding in animations when rendering in POV-Ray for video
  * Removed some old CMake code that was no longer needed
  * Made Linguist optional for Avogadro builds
  * Fixes for compilation on Windows
  * Fixed a few memory leaks 
- removed proprietary test files from the tarball bnc#645306 
- removed proprietary test files from the tarball bnc#645306 
- move the changelog to .changes to prepare factory submission
- new upstream version (Stable release)
- new upstream version (bugfix release)
- new upstream version (bugfix release)
- new upstream version 0.9.5
- disabled update checker
- new upstream version 0.9.4
- fixed bug 2737083 :
  https://sourceforge.net/tracker/?func=detail&aid=2737083&group_id=165310&atid=835077
- new upstream version 0.9.3
- update to version 0.9.2
- added several BuildRequires to allow GLSL  module and
  docs compilation, python module still broken
- added fdupes to symlink duplicate files
- update to version 0.9.1
- update to version 0.8.1
- lots of fixing and improving:
    for more info check here: http://avogadro.openmolecules.net/wiki/Avogadro_0.8.1
- made rpmlint happier
- update to version 0.8.0
- update to version 0.6.1
- Fixed URL project page
- Fixed libavogadro0 and avogadro-devel package
- added libavogadro like obsoletes
- follow shared library packagin policy:
  rename libavogadro to libavogadro0
- create a devel package containing the headers files
- make the compiler happier: added avogadro-0.2.0-mathmeaning.patch
- First spec making
Comments 2

Henrique Castro's avatar

Hi. Could you make the package available in Tumbleweed?


Max Lin's avatar

https://build.opensuse.org/request/show/705268 that is the reason why this package was dropped from Tumbleweed, since developer want to get rid of qt4 from Factory, I don't think this is doable, you can ask that by mailing to opensuse-factory@opensuse.org ML.

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